SCHEMBL4001800

SCHEMBL4001800

c1ccc(COc2ncnc3cc[nH]c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.60
DBF4 Q9UBU7 3/20 0.60
LMNA P02545 4/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
FFAR2 O15552 1/20 0.45
DYRK1A Q13627 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
DAPK1 P53355 1/20 0.43
CYP1A2 P05177 1/20 0.43
CDK1 P06493 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCNB1 P14635 1/20 0.43
MGMT P16455 1/20 0.43
NFKB1 P19838 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4059711 0.79 MGMT (0.47) CDC7DBF4LMNATSHRALDH1A1
SCHEMBL6431905 0.78 LTA4H (0.44) CDC7DBF4LMNAMAPK1HTT
SCHEMBL4063841 0.78 PIN1 (0.63) CDC7DBF4LMNATSHRL3MBTL1
SCHEMBL1404475 0.75 CDC7 (1.00) CDC7DBF4LMNATSHRALDH1A1
SCHEMBL16432196 0.75 TRPA1 (0.55) TSHRDYRK1AL3MBTL1MAP3K7TAB1
SCHEMBL29178671 0.73 DYRK1A (0.46) CDC7DBF4DYRK1AMAP3K7TAB1
SCHEMBL15612939 0.73 DYRK1A (0.53) MAPK1DYRK1AEGFRTTBK1TTBK2
SCHEMBL21968803 0.72 POLB (0.50) CDC7DBF4LMNATSHRHPGD
SCHEMBL17042730 0.72 CDC7 (0.56) CDC7DBF4LMNATSHRALDH1A1
SCHEMBL4544686 0.71 LMNA (0.61) LMNATSHRHPGDMAPK1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083438-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE - SYNTHESIS AND USE THEREOF FOR TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA AND LYMPHOMA USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2021-05-06 WO disclosed
WO-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 WO disclosed
CN-101062928-B Process for preparing 2-pyrrolidinyl-1h-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism IND RES LTD 2010-10-06 CN disclosed
US-20090247750-A1 PROCESS FOR PREPARING NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
WO-2009082247-A1 PROCESS FOR PREPARING IMMUCILLINS HAVING A METHYLENE LINK INDUSTRIAL RESEARCH LIMITED (NZ) 2009-07-02 WO disclosed
CN-101062928-A Process for preparing 2-pyrrolidinyl-1h-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism IND RES LTD (NZ) 2007-10-31 CN disclosed
CN-100344630-C 3H, 5H-pyrrolo [3, 2-d ] pyrimidin-4-one derivatives and process for producing the same IND RES LTD (NZ) 2007-10-24 CN disclosed
CN-1727341-A 3H, 5H-pyrrolo [3, 2-d ] pyrimidin-4-one derivatives and process for producing the same IND RES LTD (NZ) 2006-02-01 CN disclosed
CN-1196704-C Process for preparing nucleoside metabolism inhibitor and intermediate compound IND RES LTD (NZ) 2005-04-13 CN disclosed
CN-1370171-A Process for preparing nucleoside metabolism inhibitors IND RES LTD (NZ) 2002-09-18 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090247750-A1 PROCESS FOR PREPARING NUCLEOSIDE ANALOGS PNP, TYMP, UMPS CDC7 677/4885DBF4 1047/4885LMNA 1500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.